5-(2-methoxyethyl)-2-phenyl-7-piperazin-4-ium-1-ylcarbonyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one

Systemtic Name: 5-(2-methoxyethyl)-2-phenyl-7-piperazin-4-ium-1-ylcarbonyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Openeye Name: 5-(2-methoxyethyl)-2-phenyl-7-(piperazin-4-ium-1-carbonyl)-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one CAS Name: 5-(2-methoxyethyl)-7-[oxo(1-piperazin-4-iumyl)methyl]-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one IUPAC Name: 5-(2-methoxyethyl)-2-phenyl-7-(piperazin-4-ium-1-carbonyl)-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Traditional Name: 5-(2-methoxyethyl)-2-phenyl-7-(piperazin-4-ium-1-carbonyl)-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Formula: C20H25N5O3+2 MolecularWeight: 383.4442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC[N+]1=CC(=C2C(=C1)C(=O)N(N2)C3=CC=CC=C3)C(=O)N4CC[NH2+]CC4

Isomeric SMILES

COCC[N+]1=CC(=C2C(=C1)C(=O)N(N2)C3=CC=CC=C3)C(=O)N4CC[NH2+]CC4

InChI

InChI=1S/C20H23N5O3/c1-28-12-11-23-13-16(19(26)24-9-7-21-8-10-24)18-17(14-23)20(27)25(22-18)15-5-3-2-4-6-15/h2-6,13-14,21H,7-12H2,1H3/p+2